ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010741
RECORD_TITLE: IPRODIONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: IPRODIONE
CH$NAME: 3-(3,5-DICHLOROPHENYL)-N-ISOPROPYL-2,4-DIOXO-1-IMIDAZOLIDINECARBOXAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₃Cl₂N₃O₃
CH$EXACT_MASS: 329.03340
CH$SMILES: CC(C)NC(=O)N(C2)C(=O)N(C(=O)2)c(c1)cc(Cl)cc(Cl)1
CH$IUPAC: InChI=1S/C13H13Cl2N3O3/c1-7(2)16-12(20)17-6-11(19)18(13(17)21)10-4-8(14)3-9(15)5-10/h3-5,7H,6H2,1-2H3,(H,16,20)
CH$LINK: INCHIKEY ONUFESLQCSAYKA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3024154

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0909-6449000000-93c62a4c93a722068735
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  29 2.17 22
  30 4.29 43
  41 1.85 19
  42 4.34 43
  43 20.94 209
  44 9.53 95
  56 20.03 200
  57 1.56 16
  58 46.93 469
  59 1.72 17
  70 21.29 213
  84 4.58 46
  85 2.05 21
  86 1.94 19
  99 1.59 16
  124 1.33 13
  160 1.48 15
  161 3.29 33
  162 1.37 14
  163 1.82 18
  175 1.24 12
  181 1.93 19
  187 32.43 324
  188 13.54 135
  189 22.15 222
  190 9.18 92
  191 4.39 44
  192 1.47 15
  216 12.57 126
  217 1.7 17
  218 7.73 77
  220 1.42 14
  244 23.44 234
  245 18.2 182
  246 16.39 164
  247 11.48 115
  248 3.62 36
  249 1.82 18
  271 7.19 72
  273 4.62 46
  314 99.99 999
  315 14.59 146
  316 65.13 651
  317 9.03 90
  318 11.34 113
  319 1.5 15
  329 5.72 57
  330 1.16 12
  331 3.73 37
//